Three funded PhD studentships are available in the research group of Prof. Chris-Kriton Skylaris:

  • Using novel quantum chemistry methods to develop catalysts for the next generation of clean energy technologies
    Catalysis is at the core of many modern clean energy technologies, but optimising their activity and lifetime is a major research challenge. In this PhD, large-scale first principles quantum mechanical calculations will be used for the first time to simulate chemical reactions with catalytic nanoparticles in the important size regime of 1-10 nm where the transition from “nanoparticle” to “bulk metal” occurs. This 4-year PhD studentship is supported by Johnson Matthey who will provide periods of placement at their research laboratories. For full details, see here.
  • Developing free energy methods with large-scale quantum ensembles for applications in drug optimisation
    This project involves the development of free energy methods based on large-scale quantum chemistry calculations and applications in drug optimisation, in collaboration with a pharmaceutical company (Boehringer Ingelheim). For full details, see here.
  • Multiscale simulation of additive – coating lubrication materials for automotive applications
    Application of multiscale simulation approaches to study friction-reducing coatings in materials and their interaction with solvent and additives, in collaboration with a company that makes bearings and other friction-reducing components (Schaeffler). For full details, see here.